(Q105343355)

English

[(3S,4aS,6aS,6aR,6bR,12aR,14aS,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,10,11,12,13,14,14a-tetradecahydropicen-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,7,10,11,12,12b,13,14,14a-tetradecahydropicen-3-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

468.396730904 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Gammacer-16-en-3beta-ol acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₅₂O₂

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5(C(=CCC43C)C(C)(C)CCC5)C)C1(C)C)C

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isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@@H]2[C@@]4(C)CCCC(C)(C)C4=CC[C@]23C)C1(C)C

0 references

found in taxon

Picris hieracioides

1 reference

stated in

Composite constituents: Three gammacer-16-ene derivatives, novel triterpenoids isolated from roots of Picris hieracioides subsp. japonica

Identifiers

InChI

InChI=1S/C32H52O2/c1-21(33)34-26-15-18-30(7)23(28(26,4)5)14-20-32(9)25(30)12-11-24-29(6)17-10-16-27(2,3)22(29)13-19-31(24,32)8/h13,23-26H,10-12,14-20H2,1-9H3/t23-,24-,25+,26+,29+,30+,31-,32-/m1/s1

0 references

InChIKey

XWFTZUFAYGHVEI-NNFDCNSHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XWFTZUFAYGHVEI-NNFDCNSHSA-N

(Q105343355)

[(3S,4aS,6aS,6aR,6bR,12aR,14aS,14bR)-4,4,6a,6b,9,9,12a,14b-octamethyl-1,2,3,4a,5,6,6a,7,10,11,12,13,14,14a-tetradecahydropicen-3-yl] acetate

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